Information card for entry 2203797

Structure parameters

• Chemical name: Dimethyl (Z, Z)-3,3'-(propane-1,2-diyldiimino)dibut-2-enoate
• Formula: C13 H22 N2 O4
• Calculated formula: C13 H22 N2 O4
• SMILES: O=C(OC)/C=C(\NCC(N/C(C)=C\C(=O)OC)C)C
• Title of publication: Dimethyl (<i>Z,Z</i>)-3,3'-(propane-1,2-diyldiimino)dibut-2-enoate
• Authors of publication: Zhenfeng Zhang; Shuo Jin; Bo Liu; Jianping Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o991 - o993
• a: 8.7205 ± 0.0006 Å
• b: 20.2972 ± 0.0013 Å
• c: 8.8322 ± 0.0006 Å
• α: 90°
• β: 102.295 ± 0.001°
• γ: 90°
• Cell volume: 1527.46 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1851
• Weighted residual factors for all reflections included in the refinement: 0.1966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes